2-(4-(6-chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide
Grundinformationen
- CAS
942947-93-5- Standard-SMILES
CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(Cl)cnc3[nH]2)cc1- InChIKey
QYKHWEFPFAGNEV-UHFFFAOYSA-N- Summenformel
- C23H25ClN8OS
- Durchschnittliche Molmasse
- 497 g/mol
- Monoisotopische Masse
- 496,1560563
Namen und Bezeichner
- Bevorzugter Name
- 2-(4-(6-chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide
- IUPAC
- 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
- Englischer Name
- CCT129202
- Summenformel
- C23H25ClN8OS
- Molmasse
- 497.02
Namen und Synonyme
2-(4-(6-chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide2-(4-(6-chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamideRefChem:124097CCT129202942947-93-5CCT-1292022-(4-(6-chloro-2-(4-(dimethylamino)phenyl)-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamideUNII-8N349V9Q27SCHEMBL209571MLS006011038CHEMBL3925252-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
Weitere Namen anzeigen
CS-407CCT129202 USP/EP/BPCCT129202 (CCT-1292022-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(th2-[4-[6-Chloro-2-(4-dimethylaminophenyl)-3H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(thiazol-2-yl)acetamide
BDBM502247348N349V9Q27CCG-269670CS-02061-Piperazineacetamide, 4-(6-chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)-N-2-thiazolyl-1-piperazineacetamide, 4-[6-chloro-2-[4-(dimethylamino)phenyl]-3H-imidazo[4,5-b]pyridin-7-yl]-N-2-thiazolyl-2-(4-(6-Chloro-2-(4-dimethylaminophenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide2-(4-{6-CHLORO-2-[4-(DIMETHYLAMINO)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDIN-7-YL}PIPERAZIN-1-YL)-N-(1,3-THIAZOL-2-YL)ACETAMIDE
Datenbank-Bezeichner
- CAS
942947-93-5- PubChem CID
- 16202152
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 122 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 688
Physikochemische Eigenschaften
- Dichte
- 1.427 · 1.427
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 1 mg/mL · DMSO : 1 mg/mL (2.01 mM; Need ultrasonic)
- Aggregatzustand
- Powder
- pka
- 9.26 · 9.26±0.50(Predicted)
- Farbe
- Light yellow to yellow
- InChIKey
- QYKHWEFPFAGNEV-UHFFFAOYSA-N
- SMILES
- N1(CC(NC2=NC=CS2)=O)CCN(C2C(Cl)=CN=C3NC(C4=CC=C(N(C)C)C=C4)=NC3=2)CC1
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
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